Geometry & MOs

Info

ID:	437040
PubChem CID:	135214119
Reduced:	SN3O3C25H31 (1)
Stoich.:	AB3C3D25E31 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-2.96
Dipole, Da:	4.71
IP(EA), eV:	-8.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]amino]-4-[[(2R)-1-thiophen-3-ylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C[C@@H](CC1=CSC=C1)NC2=C(C(=O)C2=O)N(CC=C)C[C@H](CC3=CC=C(C=C3)O)N(C)C

DOS

IR

Vibrations